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Tailoring spin-exchange interactions and topological magnons in 2D ferromagnetic van der Waals CrI3/As bilayer via multiple stacking orders: A first-principles study

Andi Gumarilang* and Kohji Nakamura

  • *Contact author: 423db01@m.mie-u.ac.jp
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Phys. Rev. Materials 10, 024407 – Published 17 February, 2026

DOI: https://doi.org/10.1103/kd5v-grhn

Abstract

Discovery of two-dimensional ferromagnetic van der Waals chromium triiodide (CrI3) opens new avenues toward tunable terahertz topological magnon via stacking order control in a multilayer system. We theoretically simulated magnetism and topological magnon modulation in multiple CrI3/As stacking orders by means of first-principles and linear spin-wave theory calculations. The first-nearest-neighbor spin-exchange interactions are enhanced up to 100% from those in monolayer CrI3 due to degeneracy lifting in Cr d orbitals induced by broken symmetry from the addition of As monolayer. Furthermore, interfacial charge transfer from the As monolayer to I atom in the bottom sublayer induces finite Dzyaloshinskii-Moriya interactions of first-nearest-neighboring Cr atoms and enhances those of second-nearest-neighboring Cr atoms. Magnon Dirac gaps in bilayer CrI3/As are open wider than those in monolayer CrI3 at the edge of the Brillouin zone, attributed to the enhanced second-nearest-neighbor Dzyaloshinskii-Moriya interactions. The magnon dispersion in a nanoribbon geometry exhibits localized magnon edge states, and the existence of localized edge states is unique to a certain periodicity direction relative to the crystallographic direction in the stacking order with broken rotational symmetry.

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Corrections

16 March, 2026

Correction: The elements As and I were erroneously set as Bi in several locations throughout the paper and have been fixed.

Article Text

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Phys. Rev. Materials 10, 024407– Published 17 February, 2026
  • Received 31 October 2025
  • Accepted 27 January 2026
  • Corrected 16 March 2026
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